N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide

C19H17N9O — CID 70232054

IUPACN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
SMILESNc1ncccc1NCc1cc(NC(=O)c2cnc(-n3cccn3)cn2)ccn1
InChIInChI=1S/C19H17N9O/c20-18-15(3-1-5-22-18)23-10-14-9-13(4-7-21-14)27-19(29)16-11-25-17(12-24-16)28-8-2-6-26-28/h1-9,11-12,23H,10H2,(H2,20,22)(H,21,27,29)
InChIKeyIRFFFHGWHAHTHV-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide

N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide (PubChem CID 70232054) has the molecular formula C19H17N9O and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
PubChem CID70232054
Molecular FormulaC19H17N9O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
SMILESNc1ncccc1NCc1cc(NC(=O)c2cnc(-n3cccn3)cn2)ccn1
InChIInChI=1S/C19H17N9O/c20-18-15(3-1-5-22-18)23-10-14-9-13(4-7-21-14)27-19(29)16-11-25-17(12-24-16)28-8-2-6-26-28/h1-9,11-12,23H,10H2,(H2,20,22)(H,21,27,29)
InChIKeyIRFFFHGWHAHTHV-UHFFFAOYSA-N
XLogP1.90
TPSA136.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-chloropyridine-2-carboxamide
CID 70233906
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide
CID 70234464
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-(2-ethoxyethoxy)pyrazine-2-carboxamide
CID 70234102
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-[(Z)-pent-2-enoxy]pyrazine-2-carboxamide
CID 70234668
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pent-3-ynoxypyrazine-2-carboxamide
CID 70235307
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
CID 70234157
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide
CID 70233511
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3,5-dimethoxypyridine-2-carboxamide
CID 70234636
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
CID 58448836
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-methylsulfanylpyrazine-2-carboxamide
CID 70235300
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 70234437
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-[(E)-but-2-enoxy]pyrazine-2-carboxamide
CID 70233657

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide (CID 70232054) is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide is Nc1ncccc1NCc1cc(NC(=O)c2cnc(-n3cccn3)cn2)ccn1.
What is the InChIKey of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide?
The InChIKey is IRFFFHGWHAHTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9O/c20-18-15(3-1-5-22-18)23-10-14-9-13(4-7-21-14)27-19(29)16-11-25-17(12-24-16)28-8-2-6-26-28/h1-9,11-12,23H,10H2,(H2,20,22)(H,21,27,29).
What are the key properties of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide?
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 70232054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).