2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

C20H26N4O — CID 95199376

IUPAC2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@H]2CCN(Cc3ccccc3C)C2)c(C)n1
InChIInChI=1S/C20H26N4O/c1-14-6-4-5-7-18(14)13-24-9-8-17(12-24)10-22-20(25)19-11-21-16(3)23-15(19)2/h4-7,11,17H,8-10,12-13H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyASMACTKYXPYBOV-QGZVFWFLSA-N
MW338.46 g/mol
LogP2.65
Rot. Bonds5

About 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 95199376) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID95199376
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@H]2CCN(Cc3ccccc3C)C2)c(C)n1
InChIInChI=1S/C20H26N4O/c1-14-6-4-5-7-18(14)13-24-9-8-17(12-24)10-22-20(25)19-11-21-16(3)23-15(19)2/h4-7,11,17H,8-10,12-13H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyASMACTKYXPYBOV-QGZVFWFLSA-N
XLogP2.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 135114553
1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70767251
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 125168955
N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 126424203
3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 131903613
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 122568839
2-methoxy-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95192212
2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95216925
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 125156142

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 95199376) is 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC[C@H]2CCN(Cc3ccccc3C)C2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is ASMACTKYXPYBOV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-6-4-5-7-18(14)13-24-9-8-17(12-24)10-22-20(25)19-11-21-16(3)23-15(19)2/h4-7,11,17H,8-10,12-13H2,1-3H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95199376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).