N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C19H29N7O — CID 91922877

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CN(C)C)n1
InChIInChI=1S/C19H29N7O/c1-14-9-15(2)26(23-14)8-6-19(27)22-17-12-25(11-16(17)10-24(3)4)18-5-7-20-13-21-18/h5,7,9,13,16-17H,6,8,10-12H2,1-4H3,(H,22,27)/t16-,17-/m1/s1
InChIKeyYVFBYFIUGBITFB-IAGOWNOFSA-N
MW371.49 g/mol
LogP0.86
Rot. Bonds7

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 91922877) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID91922877
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CN(C)C)n1
InChIInChI=1S/C19H29N7O/c1-14-9-15(2)26(23-14)8-6-19(27)22-17-12-25(11-16(17)10-24(3)4)18-5-7-20-13-21-18/h5,7,9,13,16-17H,6,8,10-12H2,1-4H3,(H,22,27)/t16-,17-/m1/s1
InChIKeyYVFBYFIUGBITFB-IAGOWNOFSA-N
XLogP0.86
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
CID 25207956
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
CID 44581866
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91911715
US9932325, Example 149
CID 132244718
1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873903
N-[3-[[2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 145900909
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
(3S,4S)-N~3~-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-4-(methoxymethyl)-1-(2-pyrimidinyl)tetrahydro-1H-pyrrole-3-carboxamide
CID 124051905
(4S)-3-[2-[1-(1-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489821
(4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490031
(4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347644
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 91922877) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CN(C)C)n1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is YVFBYFIUGBITFB-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-9-15(2)26(23-14)8-6-19(27)22-17-12-25(11-16(17)10-24(3)4)18-5-7-20-13-21-18/h5,7,9,13,16-17H,6,8,10-12H2,1-4H3,(H,22,27)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 371.49 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 91922877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).