2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C21H25N5O2 — CID 126644590

IUPAC2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NC(C)(C)COCc3ccccc3)c2)cn1
InChIInChI=1S/C21H25N5O2/c1-21(2,14-28-13-15-7-5-4-6-8-15)25-20(27)18-9-16(10-23-19(18)22)17-11-24-26(3)12-17/h4-12H,13-14H2,1-3H3,(H2,22,23)(H,25,27)
InChIKeyDITZAZVVWNVEGD-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.79
Rot. Bonds7

About 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 126644590) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID126644590
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NC(C)(C)COCc3ccccc3)c2)cn1
InChIInChI=1S/C21H25N5O2/c1-21(2,14-28-13-15-7-5-4-6-8-15)25-20(27)18-9-16(10-23-19(18)22)17-11-24-26(3)12-17/h4-12H,13-14H2,1-3H3,(H2,22,23)(H,25,27)
InChIKeyDITZAZVVWNVEGD-UHFFFAOYSA-N
XLogP2.79
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate
CID 126671430
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;cyclopentylmethoxymethylbenzene
CID 145269176
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
CID 163832924
(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 126644031
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-N-[1-[(3,4-dimethylphenyl)methoxy]propan-2-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644043
2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654155
2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(naphthalen-2-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
CID 126644649
2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 171524879
2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654169
2-amino-N-[(2S)-2-[(4-chlorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654151

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 126644590) is 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)NC(C)(C)COCc3ccccc3)c2)cn1.
What is the InChIKey of 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is DITZAZVVWNVEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2,14-28-13-15-7-5-4-6-8-15)25-20(27)18-9-16(10-23-19(18)22)17-11-24-26(3)12-17/h4-12H,13-14H2,1-3H3,(H2,22,23)(H,25,27).
What are the key properties of 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126644590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).