2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide

C19H29N5O2 — CID 133120579

IUPAC2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCCC[C@@H]1CN(CCC(=O)NC)C[C@H]1NC(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C19H29N5O2/c1-3-4-14-11-24(8-7-17(25)20-2)12-16(14)23-19(26)15-9-21-18(22-10-15)13-5-6-13/h9-10,13-14,16H,3-8,11-12H2,1-2H3,(H,20,25)(H,23,26)/t14-,16-/m1/s1
InChIKeyDPOSJCDCKPHUTC-GDBMZVCRSA-N
MW359.47 g/mol
LogP1.32
Rot. Bonds8

About 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 133120579) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide
PubChem CID133120579
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCCC[C@@H]1CN(CCC(=O)NC)C[C@H]1NC(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C19H29N5O2/c1-3-4-14-11-24(8-7-17(25)20-2)12-16(14)23-19(26)15-9-21-18(22-10-15)13-5-6-13/h9-10,13-14,16H,3-8,11-12H2,1-2H3,(H,20,25)(H,23,26)/t14-,16-/m1/s1
InChIKeyDPOSJCDCKPHUTC-GDBMZVCRSA-N
XLogP1.32
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 154899016
1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
CID 154897477
N-[(3S,4R)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 133135547
N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 72881237
N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide
CID 133112436
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 72885800
N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 133114350
N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 86283433
3-(3-hydroxyazetidin-1-yl)-N-methylpropanamide
CID 63282149
N-[(3R,4S)-1-(2-hydroxyethyl)-4-propylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 72930062
N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride
CID 154898990
N-[(3R,4S)-1-(3-hydroxypropyl)-4-propylpyrrolidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide;hydrochloride
CID 154898306

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide (CID 133120579) is 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide is CCC[C@@H]1CN(CCC(=O)NC)C[C@H]1NC(=O)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is DPOSJCDCKPHUTC-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-4-14-11-24(8-7-17(25)20-2)12-16(14)23-19(26)15-9-21-18(22-10-15)13-5-6-13/h9-10,13-14,16H,3-8,11-12H2,1-2H3,(H,20,25)(H,23,26)/t14-,16-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 133120579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).