N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide

C21H27N5O2 — CID 146670880

IUPACN-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)c3cccnc3)nc2)C1
InChIInChI=1S/C21H27N5O2/c1-15(27)25(4)18-9-11-26(14-18)20(28)16-7-8-19(23-12-16)24-21(2,3)17-6-5-10-22-13-17/h5-8,10,12-13,18H,9,11,14H2,1-4H3,(H,23,24)/t18-/m0/s1
InChIKeyFJYXFCWUCGRCQQ-SFHVURJKSA-N
MW381.48 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide

N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 146670880) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID146670880
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)c3cccnc3)nc2)C1
InChIInChI=1S/C21H27N5O2/c1-15(27)25(4)18-9-11-26(14-18)20(28)16-7-8-19(23-12-16)24-21(2,3)17-6-5-10-22-13-17/h5-8,10,12-13,18H,9,11,14H2,1-4H3,(H,23,24)/t18-/m0/s1
InChIKeyFJYXFCWUCGRCQQ-SFHVURJKSA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146670643
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-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146664648
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;6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid;N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 163429285
N-[(3S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 163440006
N-[(3S)-1-[6-[[(1S)-1-(3H-benzimidazol-5-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146665102
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylmorpholine-4-carboxamide;[6-(tert-butylamino)-3-pyridinyl]-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;morpholine-4-carbonyl chloride;hydrochloride
CID 159328061
N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146592628
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide (CID 146670880) is N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)c3cccnc3)nc2)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is FJYXFCWUCGRCQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(27)25(4)18-9-11-26(14-18)20(28)16-7-8-19(23-12-16)24-21(2,3)17-6-5-10-22-13-17/h5-8,10,12-13,18H,9,11,14H2,1-4H3,(H,23,24)/t18-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146670880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).