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

C20H31N7O — CID 91922878

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C
InChIInChI=1S/C20H31N7O/c1-14-17(15(2)26(5)24-14)6-7-20(28)23-18-12-27(11-16(18)10-25(3)4)19-8-9-21-13-22-19/h8-9,13,16,18H,6-7,10-12H2,1-5H3,(H,23,28)/t16-,18-/m1/s1
InChIKeyBKTROHIWCAGPOM-SJLPKXTDSA-N
MW385.52 g/mol
LogP0.94
Rot. Bonds7

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

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 91922878) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID91922878
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C
InChIInChI=1S/C20H31N7O/c1-14-17(15(2)26(5)24-14)6-7-20(28)23-18-12-27(11-16(18)10-25(3)4)19-8-9-21-13-22-19/h8-9,13,16,18H,6-7,10-12H2,1-5H3,(H,23,28)/t16-,18-/m1/s1
InChIKeyBKTROHIWCAGPOM-SJLPKXTDSA-N
XLogP0.94
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 91922878) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is BKTROHIWCAGPOM-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H31N7O/c1-14-17(15(2)26(5)24-14)6-7-20(28)23-18-12-27(11-16(18)10-25(3)4)19-8-9-21-13-22-19/h8-9,13,16,18H,6-7,10-12H2,1-5H3,(H,23,28)/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 385.52 g/mol, XLogP of 0.94, 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-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 91922878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).