2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C15H19N5O2 — CID 126644075

IUPAC2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3O)c2)cn1
InChIInChI=1S/C15H19N5O2/c1-20-8-10(7-18-20)9-5-11(14(16)17-6-9)15(22)19-12-3-2-4-13(12)21/h5-8,12-13,21H,2-4H2,1H3,(H2,16,17)(H,19,22)/t12-,13-/m0/s1
InChIKeyCARFAFSQEPQUGN-STQMWFEESA-N
MW301.35 g/mol
LogP0.71
Rot. Bonds3

About 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 126644075) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID126644075
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3O)c2)cn1
InChIInChI=1S/C15H19N5O2/c1-20-8-10(7-18-20)9-5-11(14(16)17-6-9)15(22)19-12-3-2-4-13(12)21/h5-8,12-13,21H,2-4H2,1H3,(H2,16,17)(H,19,22)/t12-,13-/m0/s1
InChIKeyCARFAFSQEPQUGN-STQMWFEESA-N
XLogP0.71
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 126644075) is 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3O)c2)cn1.
What is the InChIKey of 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is CARFAFSQEPQUGN-STQMWFEESA-N. The full InChI is InChI=1S/C15H19N5O2/c1-20-8-10(7-18-20)9-5-11(14(16)17-6-9)15(22)19-12-3-2-4-13(12)21/h5-8,12-13,21H,2-4H2,1H3,(H2,16,17)(H,19,22)/t12-,13-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-2-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126644075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).