N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide

C17H14N8O — CID 70233511

IUPACN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)nc1
InChIInChI=1S/C17H14N8O/c18-7-11-8-23-16(24-9-11)17(26)25-12-3-5-20-13(6-12)10-22-14-2-1-4-21-15(14)19/h1-6,8-9,22H,10H2,(H2,19,21)(H,20,25,26)
InChIKeyHLEQFTLXXSXKNG-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.58
Rot. Bonds5

About N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide

N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide (PubChem CID 70233511) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide
PubChem CID70233511
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)nc1
InChIInChI=1S/C17H14N8O/c18-7-11-8-23-16(24-9-11)17(26)25-12-3-5-20-13(6-12)10-22-14-2-1-4-21-15(14)19/h1-6,8-9,22H,10H2,(H2,19,21)(H,20,25,26)
InChIKeyHLEQFTLXXSXKNG-UHFFFAOYSA-N
XLogP1.58
TPSA142.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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]-3-fluoropyridine-2-carboxamide
CID 70234157
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]-3,5-dimethoxypyridine-2-carboxamide
CID 70234636
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
CID 70232054
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]-5-[(Z)-pent-2-enoxy]pyrazine-2-carboxamide
CID 70234668
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-(2-ethoxyethoxy)pyrazine-2-carboxamide
CID 70234102
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide
CID 70233896
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
CID 58448836
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine
CID 143980591
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-but-3-ynoxy-5-methylpyrazine
CID 143980568

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide?
The IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide (CID 70233511) is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide?
The canonical SMILES for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)nc1.
What is the InChIKey of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide?
The InChIKey is HLEQFTLXXSXKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O/c18-7-11-8-23-16(24-9-11)17(26)25-12-3-5-20-13(6-12)10-22-14-2-1-4-21-15(14)19/h1-6,8-9,22H,10H2,(H2,19,21)(H,20,25,26).
What are the key properties of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide?
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide is sourced from PubChem (CID 70233511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).