N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide

C18H18N6O — CID 46974111

IUPACN-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide
SMILESCNc1cc(CCNC(=O)c2cccnc2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H18N6O/c1-19-16-11-15(23-17(24-16)13-4-8-20-9-5-13)6-10-22-18(25)14-3-2-7-21-12-14/h2-5,7-9,11-12H,6,10H2,1H3,(H,22,25)(H,19,23,24)
InChIKeyFCOAMNAEQRADBJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.95
Rot. Bonds6

About N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide

N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide (PubChem CID 46974111) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide
PubChem CID46974111
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide
SMILESCNc1cc(CCNC(=O)c2cccnc2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H18N6O/c1-19-16-11-15(23-17(24-16)13-4-8-20-9-5-13)6-10-22-18(25)14-3-2-7-21-12-14/h2-5,7-9,11-12H,6,10H2,1H3,(H,22,25)(H,19,23,24)
InChIKeyFCOAMNAEQRADBJ-UHFFFAOYSA-N
XLogP1.95
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide (CID 46974111) is N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide is CNc1cc(CCNC(=O)c2cccnc2)nc(-c2ccncc2)n1.
What is the InChIKey of N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is FCOAMNAEQRADBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-19-16-11-15(23-17(24-16)13-4-8-20-9-5-13)6-10-22-18(25)14-3-2-7-21-12-14/h2-5,7-9,11-12H,6,10H2,1H3,(H,22,25)(H,19,23,24).
What are the key properties of N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide?
N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 46974111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).