N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide

C16H14N6O2 — CID 164614928

IUPACN-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3ccncc3)n2)cn1
InChIInChI=1S/C16H14N6O2/c1-24-14-3-2-12(10-19-14)20-15(23)13-6-9-18-16(22-13)21-11-4-7-17-8-5-11/h2-10H,1H3,(H,20,23)(H,17,18,21,22)
InChIKeyAIRSGJNKCPFCTG-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.27
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide

N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide (PubChem CID 164614928) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
PubChem CID164614928
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3ccncc3)n2)cn1
InChIInChI=1S/C16H14N6O2/c1-24-14-3-2-12(10-19-14)20-15(23)13-6-9-18-16(22-13)21-11-4-7-17-8-5-11/h2-10H,1H3,(H,20,23)(H,17,18,21,22)
InChIKeyAIRSGJNKCPFCTG-UHFFFAOYSA-N
XLogP2.27
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide (CID 164614928) is N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Nc3ccncc3)n2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The InChIKey is AIRSGJNKCPFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-24-14-3-2-12(10-19-14)20-15(23)13-6-9-18-16(22-13)21-11-4-7-17-8-5-11/h2-10H,1H3,(H,20,23)(H,17,18,21,22).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 164614928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).