[(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate

C20H31N5O3 — CID 162369284

IUPAC[(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)O[C@@H]1CC[C@H](C2CC(NC(=O)c3ccc(C)nc3)NN2)C1
InChIInChI=1S/C20H31N5O3/c1-4-12(2)22-20(27)28-16-8-7-14(9-16)17-10-18(25-24-17)23-19(26)15-6-5-13(3)21-11-15/h5-6,11-12,14,16-18,24-25H,4,7-10H2,1-3H3,(H,22,27)(H,23,26)/t12-,14-,16+,17?,18?/m0/s1
InChIKeyFHJPDKZJFWKFCF-IQOWIZCYSA-N
MW389.50 g/mol
LogP2.01
Rot. Bonds6

About [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate

[(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate (PubChem CID 162369284) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
PubChem CID162369284
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name[(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)O[C@@H]1CC[C@H](C2CC(NC(=O)c3ccc(C)nc3)NN2)C1
InChIInChI=1S/C20H31N5O3/c1-4-12(2)22-20(27)28-16-8-7-14(9-16)17-10-18(25-24-17)23-19(26)15-6-5-13(3)21-11-15/h5-6,11-12,14,16-18,24-25H,4,7-10H2,1-3H3,(H,22,27)(H,23,26)/t12-,14-,16+,17?,18?/m0/s1
InChIKeyFHJPDKZJFWKFCF-IQOWIZCYSA-N
XLogP2.01
TPSA104.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,3S)-3-[5-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(3,3-difluorobutan-2-yl)carbamate
CID 162369313
[(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
CID 162369160
[(1R,3S)-3-[5-[[2-(2-ethylsulfonylphenyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 162369142
[(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 162369332
[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate
CID 162369173
[(1R,3S)-3-[5-[[2-[4-(difluoromethyl)-2-pyridinyl]acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 162369336
[(1S,3R)-3-[5-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate
CID 162369134
[(1R,3S)-3-[3-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4,5-dihydro-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 155040536
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
CID 111661211
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
[(1R,3S)-3-[2-[4-(propan-2-ylsulfamoyl)anilino]pyrimidin-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 171087188

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The IUPAC name of [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate (CID 162369284) is [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The canonical SMILES for [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate is CC[C@H](C)NC(=O)O[C@@H]1CC[C@H](C2CC(NC(=O)c3ccc(C)nc3)NN2)C1.
What is the InChIKey of [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The InChIKey is FHJPDKZJFWKFCF-IQOWIZCYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-4-12(2)22-20(27)28-16-8-7-14(9-16)17-10-18(25-24-17)23-19(26)15-6-5-13(3)21-11-15/h5-6,11-12,14,16-18,24-25H,4,7-10H2,1-3H3,(H,22,27)(H,23,26)/t12-,14-,16+,17?,18?/m0/s1.
What are the key properties of [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
[(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate has a molecular weight of 389.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate is sourced from PubChem (CID 162369284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).