N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide

C23H22N4O3 — CID 146208862

IUPACN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cccc(C(CCO)NC(=O)c2cc(-c3ccc4[nH]ncc4c3)ccn2)c1
InChIInChI=1S/C23H22N4O3/c1-30-19-4-2-3-17(12-19)20(8-10-28)26-23(29)22-13-16(7-9-24-22)15-5-6-21-18(11-15)14-25-27-21/h2-7,9,11-14,20,28H,8,10H2,1H3,(H,25,27)(H,26,29)
InChIKeyRPLBFKLSRUYWQR-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.49
Rot. Bonds7

About N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide

N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide (PubChem CID 146208862) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide
PubChem CID146208862
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cccc(C(CCO)NC(=O)c2cc(-c3ccc4[nH]ncc4c3)ccn2)c1
InChIInChI=1S/C23H22N4O3/c1-30-19-4-2-3-17(12-19)20(8-10-28)26-23(29)22-13-16(7-9-24-22)15-5-6-21-18(11-15)14-25-27-21/h2-7,9,11-14,20,28H,8,10H2,1H3,(H,25,27)(H,26,29)
InChIKeyRPLBFKLSRUYWQR-UHFFFAOYSA-N
XLogP3.49
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
N-[1-(3-methoxyphenyl)-2-(methylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146209021
2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 169099717
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662966
N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 163763298
N-[2-amino-1-(3-methoxyphenyl)ethyl]-6-bromoisoquinoline-3-carboxamide
CID 146207311
4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 155518157
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 165379942
N-[(1S)-2-[(4-bromobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167592556
5-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-2H-pyrimidin-4-yl]-1H-indazole
CID 175860752
(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide
CID 146207294
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide (CID 146208862) is N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide is COc1cccc(C(CCO)NC(=O)c2cc(-c3ccc4[nH]ncc4c3)ccn2)c1.
What is the InChIKey of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide?
The InChIKey is RPLBFKLSRUYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-30-19-4-2-3-17(12-19)20(8-10-28)26-23(29)22-13-16(7-9-24-22)15-5-6-21-18(11-15)14-25-27-21/h2-7,9,11-14,20,28H,8,10H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide?
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146208862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).