2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

C18H16ClN5O — CID 44520959

IUPAC2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2ccccc2Cl)nc(N)n1
InChIInChI=1S/C18H16ClN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyAZTIAPCDZAYYTP-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.01
Rot. Bonds4

About 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520959) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520959
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2ccccc2Cl)nc(N)n1
InChIInChI=1S/C18H16ClN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyAZTIAPCDZAYYTP-UHFFFAOYSA-N
XLogP3.01
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782
5-chloro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309175
2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520953
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520955
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
5-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641317
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2-nitrobenzamide
CID 79832472
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
CID 63372813

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520959) is 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is Cc1cccnc1CNC(=O)c1cc(-c2ccccc2Cl)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is AZTIAPCDZAYYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).