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

C23H27N5O2 — CID 118646843

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide
SMILESCCc1ccc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)nc2c1
InChIInChI=1S/C23H27N5O2/c1-3-15-4-5-16-6-7-18(26-19(16)10-15)23(30)27-20-11-25-9-8-21(20)28-12-14(2)22(29)17(24)13-28/h4-11,14,17,22,29H,3,12-13,24H2,1-2H3,(H,27,30)/t14-,17+,22+/m0/s1
InChIKeySAQPCZXVCBOQSZ-WTBBCNCBSA-N
MW405.50 g/mol
LogP2.59
Rot. Bonds4

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

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide (PubChem CID 118646843) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide
PubChem CID118646843
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide
SMILESCCc1ccc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)nc2c1
InChIInChI=1S/C23H27N5O2/c1-3-15-4-5-16-6-7-18(26-19(16)10-15)23(30)27-20-11-25-9-8-21(20)28-12-14(2)22(29)17(24)13-28/h4-11,14,17,22,29H,3,12-13,24H2,1-2H3,(H,27,30)/t14-,17+,22+/m0/s1
InChIKeySAQPCZXVCBOQSZ-WTBBCNCBSA-N
XLogP2.59
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide with MolForge

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Launch Full Analysis

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-(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]-7-morpholin-4-ylquinoline-2-carboxamide
CID 118646885
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]-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
methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 130421885
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
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-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide
CID 118646927

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-ethylquinoline-2-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide (CID 118646843) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide is CCc1ccc2ccc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)nc2c1.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide?
The InChIKey is SAQPCZXVCBOQSZ-WTBBCNCBSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-15-4-5-16-6-7-18(26-19(16)10-15)23(30)27-20-11-25-9-8-21(20)28-12-14(2)22(29)17(24)13-28/h4-11,14,17,22,29H,3,12-13,24H2,1-2H3,(H,27,30)/t14-,17+,22+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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-ethylquinoline-2-carboxamide is sourced from PubChem (CID 118646843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).