N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H22N4O3 — CID 138994491

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccnc(N3CCCC3)n2)c1
InChIInChI=1S/C18H22N4O3/c1-24-14-5-6-16(25-2)13(11-14)12-20-17(23)15-7-8-19-18(21-15)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,23)
InChIKeyDADIFMKDJPGJAX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.02
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 138994491) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID138994491
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccnc(N3CCCC3)n2)c1
InChIInChI=1S/C18H22N4O3/c1-24-14-5-6-16(25-2)13(11-14)12-20-17(23)15-7-8-19-18(21-15)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,23)
InChIKeyDADIFMKDJPGJAX-UHFFFAOYSA-N
XLogP2.02
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298268
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109302990
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306249
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145746
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306452
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
4-[[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]methyl]benzoic acid
CID 119353448
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 138994491) is N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is COc1ccc(OC)c(CNC(=O)c2ccnc(N3CCCC3)n2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is DADIFMKDJPGJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-14-5-6-16(25-2)13(11-14)12-20-17(23)15-7-8-19-18(21-15)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 138994491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).