N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide

C25H30N6O3 — CID 118646885

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCOCC4)cc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C25H30N6O3/c1-16-14-31(15-19(26)24(16)32)23-6-7-27-13-22(23)29-25(33)20-5-3-17-2-4-18(12-21(17)28-20)30-8-10-34-11-9-30/h2-7,12-13,16,19,24,32H,8-11,14-15,26H2,1H3,(H,29,33)/t16-,19+,24+/m0/s1
InChIKeyIVDHHSHASJYFNA-LSRZYVKLSA-N
MW462.55 g/mol
LogP1.86
Rot. Bonds4

About N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide (PubChem CID 118646885) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide
PubChem CID118646885
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCOCC4)cc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C25H30N6O3/c1-16-14-31(15-19(26)24(16)32)23-6-7-27-13-22(23)29-25(33)20-5-3-17-2-4-18(12-21(17)28-20)30-8-10-34-11-9-30/h2-7,12-13,16,19,24,32H,8-11,14-15,26H2,1H3,(H,29,33)/t16-,19+,24+/m0/s1
InChIKeyIVDHHSHASJYFNA-LSRZYVKLSA-N
XLogP1.86
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Palinavir
CID 72981
N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
CID 46179018
3-amino-N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 59226518
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
CID 11430774
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 46178533
N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46178857
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 46179102
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-cyclohexyl-5-fluoropyridine-2-carboxamide
CID 46179191
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 46179192
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 59226421
6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 59226432
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-3-fluoropyridine-2-carboxamide
CID 59226458

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide (CID 118646885) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCOCC4)cc3n2)C[C@@H](N)[C@@H]1O.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide?
The InChIKey is IVDHHSHASJYFNA-LSRZYVKLSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-16-14-31(15-19(26)24(16)32)23-6-7-27-13-22(23)29-25(33)20-5-3-17-2-4-18(12-21(17)28-20)30-8-10-34-11-9-30/h2-7,12-13,16,19,24,32H,8-11,14-15,26H2,1H3,(H,29,33)/t16-,19+,24+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 118646885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).