N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide

C25H30N4O3 — CID 129045578

IUPACN-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NCC2CCC[C@@H]2O)cc(Cc2ccc(-c3ccn(C)n3)cc2)c1C
InChIInChI=1S/C25H30N4O3/c1-16-20(13-17-7-9-18(10-8-17)21-11-12-29(2)28-21)14-22(27-25(16)32-3)24(31)26-15-19-5-4-6-23(19)30/h7-12,14,19,23,30H,4-6,13,15H2,1-3H3,(H,26,31)/t19?,23-/m0/s1
InChIKeyZAEVNYNRKGZSEX-BVHINDKJSA-N
MW434.54 g/mol
LogP3.28
Rot. Bonds7

About N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide

N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 129045578) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID129045578
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NCC2CCC[C@@H]2O)cc(Cc2ccc(-c3ccn(C)n3)cc2)c1C
InChIInChI=1S/C25H30N4O3/c1-16-20(13-17-7-9-18(10-8-17)21-11-12-29(2)28-21)14-22(27-25(16)32-3)24(31)26-15-19-5-4-6-23(19)30/h7-12,14,19,23,30H,4-6,13,15H2,1-3H3,(H,26,31)/t19?,23-/m0/s1
InChIKeyZAEVNYNRKGZSEX-BVHINDKJSA-N
XLogP3.28
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 146624273
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 150560056
1-[5-chloro-6-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-pyridinyl]ethanone
CID 129045209
3-[(1R,2R)-2-hydroxycyclopentyl]-7,8-dimethyl-6-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]quinazolin-4-one
CID 135309306
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
N-[(1S,2S)-2-hydroxycyclohexyl]-5,6-dimethyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridine-2-carboxamide
CID 129017580
5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 129017443
N-[(2-hydroxycyclopentyl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111471233
2-methoxy-3,4-dimethyl-5-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 137404598
6-acetyl-2-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-3-carbonitrile
CID 129045198
methyl 3,4-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(trifluoromethylsulfonyloxy)benzoate
CID 118468122
N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 150105810

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide (CID 129045578) is N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide is COc1nc(C(=O)NCC2CCC[C@@H]2O)cc(Cc2ccc(-c3ccn(C)n3)cc2)c1C.
What is the InChIKey of N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is ZAEVNYNRKGZSEX-BVHINDKJSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16-20(13-17-7-9-18(10-8-17)21-11-12-29(2)28-21)14-22(27-25(16)32-3)24(31)26-15-19-5-4-6-23(19)30/h7-12,14,19,23,30H,4-6,13,15H2,1-3H3,(H,26,31)/t19?,23-/m0/s1.
What are the key properties of N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?
N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129045578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).