N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide

C18H17N7O — CID 70233896

IUPACN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(CNc3cccnc3N)c2)cc1C#N
InChIInChI=1S/C18H17N7O/c1-25-14(10-19)9-16(24-25)18(26)23-13-5-2-4-12(8-13)11-22-15-6-3-7-21-17(15)20/h2-9,22H,11H2,1H3,(H2,20,21)(H,23,26)
InChIKeyAYABWRCMQJOLQN-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.13
Rot. Bonds5

About N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide (PubChem CID 70233896) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide
PubChem CID70233896
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(CNc3cccnc3N)c2)cc1C#N
InChIInChI=1S/C18H17N7O/c1-25-14(10-19)9-16(24-25)18(26)23-13-5-2-4-12(8-13)11-22-15-6-3-7-21-17(15)20/h2-9,22H,11H2,1H3,(H2,20,21)(H,23,26)
InChIKeyAYABWRCMQJOLQN-UHFFFAOYSA-N
XLogP2.13
TPSA121.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide (CID 70233896) is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2cccc(CNc3cccnc3N)c2)cc1C#N.
What is the InChIKey of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide?
The InChIKey is AYABWRCMQJOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-25-14(10-19)9-16(24-25)18(26)23-13-5-2-4-12(8-13)11-22-15-6-3-7-21-17(15)20/h2-9,22H,11H2,1H3,(H2,20,21)(H,23,26).
What are the key properties of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide?
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 70233896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).