N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide

C21H17N5O — CID 72897625

IUPACN-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(Cc1cccc2cccnc12)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C21H17N5O/c1-26(14-17-5-2-4-15-6-3-9-23-19(15)17)21(27)18-12-24-20(25-13-18)16-7-10-22-11-8-16/h2-13H,14H2,1H3
InChIKeyOJRUODFHPUPWBK-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.36
Rot. Bonds4

About N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide

N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 72897625) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide
PubChem CID72897625
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(Cc1cccc2cccnc12)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C21H17N5O/c1-26(14-17-5-2-4-15-6-3-9-23-19(15)17)21(27)18-12-24-20(25-13-18)16-7-10-22-11-8-16/h2-13H,14H2,1H3
InChIKeyOJRUODFHPUPWBK-UHFFFAOYSA-N
XLogP3.36
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72925010
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 53185056
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
2-(2-cyclopropyl-1H-imidazol-5-yl)-N-methyl-N-(quinolin-8-ylmethyl)acetamide
CID 166324564
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyrazine-2-carboxamide
CID 53184992
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide (CID 72897625) is N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide is CN(Cc1cccc2cccnc12)C(=O)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is OJRUODFHPUPWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-26(14-17-5-2-4-15-6-3-9-23-19(15)17)21(27)18-12-24-20(25-13-18)16-7-10-22-11-8-16/h2-13H,14H2,1H3.
What are the key properties of N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide?
N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72897625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).