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

C20H28N4O2 — CID 146592628

IUPACN-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC3(C)CCC3)nc2)C1
InChIInChI=1S/C20H28N4O2/c1-20(9-3-10-20)22-17-7-6-15(12-21-17)19(26)24-11-8-16(13-24)23(2)18(25)14-4-5-14/h6-7,12,14,16H,3-5,8-11,13H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyWFTAKSAHTWLSEY-INIZCTEOSA-N
MW356.47 g/mol
LogP2.52
Rot. Bonds5

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

N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 146592628) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID146592628
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC3(C)CCC3)nc2)C1
InChIInChI=1S/C20H28N4O2/c1-20(9-3-10-20)22-17-7-6-15(12-21-17)19(26)24-11-8-16(13-24)23(2)18(25)14-4-5-14/h6-7,12,14,16H,3-5,8-11,13H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyWFTAKSAHTWLSEY-INIZCTEOSA-N
XLogP2.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146637375
N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146430126
N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146430206
N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 139351328
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158
N-methyl-N-[(3S)-1-[6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 162775557
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide
CID 146637408
N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146670643
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146670880
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 146592628) is N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC3(C)CCC3)nc2)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is WFTAKSAHTWLSEY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(9-3-10-20)22-17-7-6-15(12-21-17)19(26)24-11-8-16(13-24)23(2)18(25)14-4-5-14/h6-7,12,14,16H,3-5,8-11,13H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.52, 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-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146592628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).