N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide

C27H34N6O3 — CID 118646987

IUPACN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide
SMILESCOC1CCN(c2ccc3ccc(C(=O)Nc4cnccc4N4CC(C)C(O)C(N)C4)nc3c2)CC1
InChIInChI=1S/C27H34N6O3/c1-17-15-33(16-21(28)26(17)34)25-7-10-29-14-24(25)31-27(35)22-6-4-18-3-5-19(13-23(18)30-22)32-11-8-20(36-2)9-12-32/h3-7,10,13-14,17,20-21,26,34H,8-9,11-12,15-16,28H2,1-2H3,(H,31,35)
InChIKeyIWSSZEDPPGRYMO-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.64
Rot. Bonds5

About N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide

N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide (PubChem CID 118646987) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide
PubChem CID118646987
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC NameN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide
SMILESCOC1CCN(c2ccc3ccc(C(=O)Nc4cnccc4N4CC(C)C(O)C(N)C4)nc3c2)CC1
InChIInChI=1S/C27H34N6O3/c1-17-15-33(16-21(28)26(17)34)25-7-10-29-14-24(25)31-27(35)22-6-4-18-3-5-19(13-23(18)30-22)32-11-8-20(36-2)9-12-32/h3-7,10,13-14,17,20-21,26,34H,8-9,11-12,15-16,28H2,1-2H3,(H,31,35)
InChIKeyIWSSZEDPPGRYMO-UHFFFAOYSA-N
XLogP2.64
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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-morpholin-4-ylquinoline-2-carboxamide
CID 118646885
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-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-[(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
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
CID 118644366
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-[(1R,2R)-2-phenylcyclopropyl]furo[2,3-b]pyridine-6-carboxamide
CID 118644407
3-amino-N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(oxan-4-yl)quinoline-2-carboxamide
CID 90279644
benzyl N-[2-[[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-7-(2-oxopiperidin-1-yl)quinolin-3-yl]carbamate
CID 86726938
benzyl N-[2-[[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-7-(3-oxomorpholin-4-yl)quinolin-3-yl]carbamate
CID 86726943

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide?
The IUPAC name of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide (CID 118646987) is N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide?
The canonical SMILES for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide is COC1CCN(c2ccc3ccc(C(=O)Nc4cnccc4N4CC(C)C(O)C(N)C4)nc3c2)CC1.
What is the InChIKey of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide?
The InChIKey is IWSSZEDPPGRYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17-15-33(16-21(28)26(17)34)25-7-10-29-14-24(25)31-27(35)22-6-4-18-3-5-19(13-23(18)30-22)32-11-8-20(36-2)9-12-32/h3-7,10,13-14,17,20-21,26,34H,8-9,11-12,15-16,28H2,1-2H3,(H,31,35).
What are the key properties of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide?
N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methoxypiperidin-1-yl)quinoline-2-carboxamide is sourced from PubChem (CID 118646987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).