N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

C29H29N5O3 — CID 52934692

IUPACN-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NC2CN(C3c4ccccc4-c4ccccc43)CCC2O)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H29N5O3/c1-18-15-34(17-30-18)25-12-11-23(32-29(25)37-2)28(36)31-24-16-33(14-13-26(24)35)27-21-9-5-3-7-19(21)20-8-4-6-10-22(20)27/h3-12,15,17,24,26-27,35H,13-14,16H2,1-2H3,(H,31,36)
InChIKeyGCFMASVBYSEEIB-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (PubChem CID 52934692) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
PubChem CID52934692
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NC2CN(C3c4ccccc4-c4ccccc43)CCC2O)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H29N5O3/c1-18-15-34(17-30-18)25-12-11-23(32-29(25)37-2)28(36)31-24-16-33(14-13-26(24)35)27-21-9-5-3-7-19(21)20-8-4-6-10-22(20)27/h3-12,15,17,24,26-27,35H,13-14,16H2,1-2H3,(H,31,36)
InChIKeyGCFMASVBYSEEIB-UHFFFAOYSA-N
XLogP3.52
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(9H-fluoren-9-yl)piperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 52934695
N-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 52919678
N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 52935797
N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 52919162
acetylene;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;methyl 6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxylate;phosphanylphosphane;hydrochloride
CID 158476369
(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
CID 70227571
(3S)-3-ethyl-2-[1-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyldiazenyl]-2-methylprop-1-enyl]-3H-isoindol-1-imine
CID 146244546
(E)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enethioic S-acid
CID 143143731
N-cyclopropyl-1-(2-methoxyphenyl)imidazole-4-carboxamide
CID 166264438
N-cyclohexyl-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391643
[2-[(8R)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methanol;[2-[(8S)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methanol
CID 160836525
8-(2-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839687

Frequently Asked Questions

What is the IUPAC name of N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (CID 52934692) is N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is COc1nc(C(=O)NC2CN(C3c4ccccc4-c4ccccc43)CCC2O)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The InChIKey is GCFMASVBYSEEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-18-15-34(17-30-18)25-12-11-23(32-29(25)37-2)28(36)31-24-16-33(14-13-26(24)35)27-21-9-5-3-7-19(21)20-8-4-6-10-22(20)27/h3-12,15,17,24,26-27,35H,13-14,16H2,1-2H3,(H,31,36).
What are the key properties of N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 52934692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).