N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine

C21H25N7O2 — CID 143980591

IUPACN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine
SMILESC=C(C)COc1cnc(C)cn1.Nc1ncccc1NCc1cc(NC=O)ccn1
InChIInChI=1S/C12H13N5O.C9H12N2O/c13-12-11(2-1-4-15-12)16-7-10-6-9(17-8-18)3-5-14-10;1-7(2)6-12-9-5-10-8(3)4-11-9/h1-6,8,16H,7H2,(H2,13,15)(H,14,17,18);4-5H,1,6H2,2-3H3
InChIKeyAPMSSNOPKXEFAT-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.98
Rot. Bonds8

About N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine

N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine (PubChem CID 143980591) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine.

Molecular Properties

Compound NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine
PubChem CID143980591
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine
SMILESC=C(C)COc1cnc(C)cn1.Nc1ncccc1NCc1cc(NC=O)ccn1
InChIInChI=1S/C12H13N5O.C9H12N2O/c13-12-11(2-1-4-15-12)16-7-10-6-9(17-8-18)3-5-14-10;1-7(2)6-12-9-5-10-8(3)4-11-9/h1-6,8,16H,7H2,(H2,13,15)(H,14,17,18);4-5H,1,6H2,2-3H3
InChIKeyAPMSSNOPKXEFAT-UHFFFAOYSA-N
XLogP2.98
TPSA127.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine?
The IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine (CID 143980591) is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine.
What is the SMILES notation for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine?
The canonical SMILES for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine is C=C(C)COc1cnc(C)cn1.Nc1ncccc1NCc1cc(NC=O)ccn1.
What is the InChIKey of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine?
The InChIKey is APMSSNOPKXEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O.C9H12N2O/c13-12-11(2-1-4-15-12)16-7-10-6-9(17-8-18)3-5-14-10;1-7(2)6-12-9-5-10-8(3)4-11-9/h1-6,8,16H,7H2,(H2,13,15)(H,14,17,18);4-5H,1,6H2,2-3H3.
What are the key properties of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine?
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine has a molecular weight of 407.48 g/mol, XLogP of 2.98, 8 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]formamide;2-methyl-5-(2-methylprop-2-enoxy)pyrazine is sourced from PubChem (CID 143980591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).