N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide

C31H34N8O3 — CID 118646911

IUPACN-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide
SMILESNC1CN(c2ccncc2NC(=O)c2ccc3ncc(-c4ccc(N5CCOCC5)nc4)cc3n2)CC(C2CC2)C1O
InChIInChI=1S/C31H34N8O3/c32-23-18-39(17-22(30(23)40)19-1-2-19)28-7-8-33-16-27(28)37-31(41)25-5-4-24-26(36-25)13-21(15-34-24)20-3-6-29(35-14-20)38-9-11-42-12-10-38/h3-8,13-16,19,22-23,30,40H,1-2,9-12,17-18,32H2,(H,37,41)
InChIKeyGNHLPLLAQZUAPE-UHFFFAOYSA-N
MW566.67 g/mol
LogP2.71
Rot. Bonds6

About N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide

N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide (PubChem CID 118646911) has the molecular formula C31H34N8O3 and a molecular weight of 566.67 g/mol. Its IUPAC name is N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide
PubChem CID118646911
Molecular FormulaC31H34N8O3
Molecular Weight566.67 g/mol
Exact Mass566.28
IUPAC NameN-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide
SMILESNC1CN(c2ccncc2NC(=O)c2ccc3ncc(-c4ccc(N5CCOCC5)nc4)cc3n2)CC(C2CC2)C1O
InChIInChI=1S/C31H34N8O3/c32-23-18-39(17-22(30(23)40)19-1-2-19)28-7-8-33-16-27(28)37-31(41)25-5-4-24-26(36-25)13-21(15-34-24)20-3-6-29(35-14-20)38-9-11-42-12-10-38/h3-8,13-16,19,22-23,30,40H,1-2,9-12,17-18,32H2,(H,37,41)
InChIKeyGNHLPLLAQZUAPE-UHFFFAOYSA-N
XLogP2.71
TPSA142.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.67
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide
CID 118646927
N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide
CID 118646877
N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide
CID 118646839
N-[4-[(3R,4R)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide
CID 126626617
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide
CID 118646885
N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-pyridin-3-ylquinoline-2-carboxamide
CID 118646914
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide
CID 118644327
N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 118646915
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide
CID 118646843
N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide
CID 118646987
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-[2,6-difluoro-4-(oxan-4-yloxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 70654556
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-methylcyclopropyl)furo[2,3-b]pyridine-6-carboxamide
CID 118644302

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide (CID 118646911) is N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide is NC1CN(c2ccncc2NC(=O)c2ccc3ncc(-c4ccc(N5CCOCC5)nc4)cc3n2)CC(C2CC2)C1O.
What is the InChIKey of N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is GNHLPLLAQZUAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O3/c32-23-18-39(17-22(30(23)40)19-1-2-19)28-7-8-33-16-27(28)37-31(41)25-5-4-24-26(36-25)13-21(15-34-24)20-3-6-29(35-14-20)38-9-11-42-12-10-38/h3-8,13-16,19,22-23,30,40H,1-2,9-12,17-18,32H2,(H,37,41).
What are the key properties of N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide?
N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 566.67 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 118646911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).