4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide

C16H15N7O — CID 172624349

IUPAC4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1cccc(Nc2cc(Nc3ccncc3C(N)=O)ncn2)n1
InChIInChI=1S/C16H15N7O/c1-10-3-2-4-13(21-10)23-15-7-14(19-9-20-15)22-12-5-6-18-8-11(12)16(17)24/h2-9H,1H3,(H2,17,24)(H2,18,19,20,21,22,23)
InChIKeySOECVRCKLZACCP-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.16
Rot. Bonds5

About 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide

4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 172624349) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID172624349
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1cccc(Nc2cc(Nc3ccncc3C(N)=O)ncn2)n1
InChIInChI=1S/C16H15N7O/c1-10-3-2-4-13(21-10)23-15-7-14(19-9-20-15)22-12-5-6-18-8-11(12)16(17)24/h2-9H,1H3,(H2,17,24)(H2,18,19,20,21,22,23)
InChIKeySOECVRCKLZACCP-UHFFFAOYSA-N
XLogP2.16
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide (CID 172624349) is 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide is Cc1cccc(Nc2cc(Nc3ccncc3C(N)=O)ncn2)n1.
What is the InChIKey of 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is SOECVRCKLZACCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-10-3-2-4-13(21-10)23-15-7-14(19-9-20-15)22-12-5-6-18-8-11(12)16(17)24/h2-9H,1H3,(H2,17,24)(H2,18,19,20,21,22,23).
What are the key properties of 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 172624349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).