2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide

C19H29N5O — CID 72864250

IUPAC2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CN(c2ncccn2)C[C@@H]1C1CC1)C1CCCC1
InChIInChI=1S/C19H29N5O/c1-23(15-5-2-3-6-15)13-18(25)22-17-12-24(11-16(17)14-7-8-14)19-20-9-4-10-21-19/h4,9-10,14-17H,2-3,5-8,11-13H2,1H3,(H,22,25)/t16-,17+/m1/s1
InChIKeyMVSIHBFOYPSLES-SJORKVTESA-N
MW343.48 g/mol
LogP1.68
Rot. Bonds6

About 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide

2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72864250) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72864250
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CN(c2ncccn2)C[C@@H]1C1CC1)C1CCCC1
InChIInChI=1S/C19H29N5O/c1-23(15-5-2-3-6-15)13-18(25)22-17-12-24(11-16(17)14-7-8-14)19-20-9-4-10-21-19/h4,9-10,14-17H,2-3,5-8,11-13H2,1H3,(H,22,25)/t16-,17+/m1/s1
InChIKeyMVSIHBFOYPSLES-SJORKVTESA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[2-(Pyrimidin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 11747757
(2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(pyrimidin-2-yl)-3-aza-bicyclo[3.1.0]hexan-6-ylamino)acetyl)pyrrolidine-2-carbonitrile
CID 44568169
(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-pyrimidin-2-ylpyrrolidine-1,2-dicarboxamide
CID 59908754
US9669031, 9 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 9)
CID 118598705
N-[2-(pyrimidin-2-ylamino)ethyl]cyclopentanecarboxamide
CID 40150165
1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081168
1-(cyclopropanecarbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501322
1-N-cyclopropyl-4-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 53501342
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502240
N-{rel-(3R,4S)-4-isopropyl-1-[3-(methylthio)propanoyl]-3-pyrrolidinyl}-2-methyl-4-pyrimidinamine hydrochloride
CID 72844975
N~1~-[(3R*,4S*)-4-cyclopropyl-1-(2-methyl-4-pyrimidinyl)-3-pyrrolidinyl]-N~2~-(methylsulfonyl)glycinamide
CID 72846165
N-[rel-(3R,4S)-4-isopropyl-1-(4-morpholinylacetyl)-3-pyrrolidinyl]-2-methyl-4-pyrimidinamine dihydrochloride
CID 72849948

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide (CID 72864250) is 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide is CN(CC(=O)N[C@H]1CN(c2ncccn2)C[C@@H]1C1CC1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is MVSIHBFOYPSLES-SJORKVTESA-N. The full InChI is InChI=1S/C19H29N5O/c1-23(15-5-2-3-6-15)13-18(25)22-17-12-24(11-16(17)14-7-8-14)19-20-9-4-10-21-19/h4,9-10,14-17H,2-3,5-8,11-13H2,1H3,(H,22,25)/t16-,17+/m1/s1.
What are the key properties of 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide?
2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 343.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-N-[(3R,4S)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72864250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).