2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol

C23H29N5O3 — CID 145269463

IUPAC2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
SMILESCOc1ccc(CO)cc1.Cn1cc(-c2cnc(N)c(C(=O)NC3CCCC3)c2)cn1
InChIInChI=1S/C15H19N5O.C8H10O2/c1-20-9-11(8-18-20)10-6-13(14(16)17-7-10)15(21)19-12-4-2-3-5-12;1-10-8-4-2-7(6-9)3-5-8/h6-9,12H,2-5H2,1H3,(H2,16,17)(H,19,21);2-5,9H,6H2,1H3
InChIKeyIMQBHNUIGLIZAT-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.92
Rot. Bonds5

About 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol

2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol (PubChem CID 145269463) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
PubChem CID145269463
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
SMILESCOc1ccc(CO)cc1.Cn1cc(-c2cnc(N)c(C(=O)NC3CCCC3)c2)cn1
InChIInChI=1S/C15H19N5O.C8H10O2/c1-20-9-11(8-18-20)10-6-13(14(16)17-7-10)15(21)19-12-4-2-3-5-12;1-10-8-4-2-7(6-9)3-5-8/h6-9,12H,2-5H2,1H3,(H2,16,17)(H,19,21);2-5,9H,6H2,1H3
InChIKeyIMQBHNUIGLIZAT-UHFFFAOYSA-N
XLogP2.92
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(naphthalen-2-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
CID 126644649
(5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142325702
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-N-[(2S)-2-[(4-chlorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654151
2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654169
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325961
[6-[2-(dimethylamino)ethoxy]naphthalen-2-yl] (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142326329
2-amino-N-[(3R)-1-[4-[4-(4-aminophenoxy)phenyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325547
2-amino-N-[(3R)-1-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325538
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142325442
2-amino-N-[(1S,2S)-2-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol?
The IUPAC name of 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol (CID 145269463) is 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol.
What is the SMILES notation for 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol?
The canonical SMILES for 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol is COc1ccc(CO)cc1.Cn1cc(-c2cnc(N)c(C(=O)NC3CCCC3)c2)cn1.
What is the InChIKey of 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol?
The InChIKey is IMQBHNUIGLIZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.C8H10O2/c1-20-9-11(8-18-20)10-6-13(14(16)17-7-10)15(21)19-12-4-2-3-5-12;1-10-8-4-2-7(6-9)3-5-8/h6-9,12H,2-5H2,1H3,(H2,16,17)(H,19,21);2-5,9H,6H2,1H3.
What are the key properties of 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol?
2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol has a molecular weight of 423.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol is sourced from PubChem (CID 145269463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).