N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

C21H30N4O2 — CID 146637386

IUPACN-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC3(C)CCCC3)nc2)C1
InChIInChI=1S/C21H30N4O2/c1-21(10-3-4-11-21)23-18-8-7-16(13-22-18)20(27)25-12-9-17(14-25)24(2)19(26)15-5-6-15/h7-8,13,15,17H,3-6,9-12,14H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyAHXKCXUTBADJQW-KRWDZBQOSA-N
MW370.50 g/mol
LogP2.91
Rot. Bonds5

About N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 146637386) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID146637386
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC3(C)CCCC3)nc2)C1
InChIInChI=1S/C21H30N4O2/c1-21(10-3-4-11-21)23-18-8-7-16(13-22-18)20(27)25-12-9-17(14-25)24(2)19(26)15-5-6-15/h7-8,13,15,17H,3-6,9-12,14H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyAHXKCXUTBADJQW-KRWDZBQOSA-N
XLogP2.91
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 146637386) is N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC3(C)CCCC3)nc2)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is AHXKCXUTBADJQW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-21(10-3-4-11-21)23-18-8-7-16(13-22-18)20(27)25-12-9-17(14-25)24(2)19(26)15-5-6-15/h7-8,13,15,17H,3-6,9-12,14H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-[6-[(1-methylcyclopentyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146637386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).