2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C20H21N5O3 — CID 109259114

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)NCc3ccncc3)cn2)cc1OC
InChIInChI=1S/C20H21N5O3/c1-27-17-4-3-15(9-18(17)28-2)11-23-20-24-12-16(13-25-20)19(26)22-10-14-5-7-21-8-6-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyFWQKBKQJISYJQJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.43
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109259114) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109259114
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)NCc3ccncc3)cn2)cc1OC
InChIInChI=1S/C20H21N5O3/c1-27-17-4-3-15(9-18(17)28-2)11-23-20-24-12-16(13-25-20)19(26)22-10-14-5-7-21-8-6-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyFWQKBKQJISYJQJ-UHFFFAOYSA-N
XLogP2.43
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248678
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109261506
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
2-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257218
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235646
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 109259114) is 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is COc1ccc(CNc2ncc(C(=O)NCc3ccncc3)cn2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is FWQKBKQJISYJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-17-4-3-15(9-18(17)28-2)11-23-20-24-12-16(13-25-20)19(26)22-10-14-5-7-21-8-6-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).