N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

C21H23N5O2 — CID 129017560

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)nc1
InChIInChI=1S/C21H23N5O2/c1-14-12-22-18(21(28)25-17-4-2-5-19(17)27)11-16(14)10-15-6-7-20(23-13-15)26-9-3-8-24-26/h3,6-9,11-13,17,19,27H,2,4-5,10H2,1H3,(H,25,28)/t17-,19-/m0/s1
InChIKeyRKDVMJOEHCBOBV-HKUYNNGSSA-N
MW377.45 g/mol
LogP2.20
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 129017560) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID129017560
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)nc1
InChIInChI=1S/C21H23N5O2/c1-14-12-22-18(21(28)25-17-4-2-5-19(17)27)11-16(14)10-15-6-7-20(23-13-15)26-9-3-8-24-26/h3,6-9,11-13,17,19,27H,2,4-5,10H2,1H3,(H,25,28)/t17-,19-/m0/s1
InChIKeyRKDVMJOEHCBOBV-HKUYNNGSSA-N
XLogP2.20
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 129017560) is N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is RKDVMJOEHCBOBV-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-12-22-18(21(28)25-17-4-2-5-19(17)27)11-16(14)10-15-6-7-20(23-13-15)26-9-3-8-24-26/h3,6-9,11-13,17,19,27H,2,4-5,10H2,1H3,(H,25,28)/t17-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129017560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).