6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide

C15H23N7O2 — CID 10830479

IUPAC6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(CNCCN)nc(C(=O)NCCc2[nH]cnc2N)c1
InChIInChI=1S/C15H23N7O2/c1-24-11-6-10(8-18-5-3-16)22-13(7-11)15(23)19-4-2-12-14(17)21-9-20-12/h6-7,9,18H,2-5,8,16-17H2,1H3,(H,19,23)(H,20,21)
InChIKeyBWEJTJBPJVOQEW-UHFFFAOYSA-N
MW333.40 g/mol
LogP-0.58
Rot. Bonds9

About 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide

6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide (PubChem CID 10830479) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide
PubChem CID10830479
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(CNCCN)nc(C(=O)NCCc2[nH]cnc2N)c1
InChIInChI=1S/C15H23N7O2/c1-24-11-6-10(8-18-5-3-16)22-13(7-11)15(23)19-4-2-12-14(17)21-9-20-12/h6-7,9,18H,2-5,8,16-17H2,1H3,(H,19,23)(H,20,21)
InChIKeyBWEJTJBPJVOQEW-UHFFFAOYSA-N
XLogP-0.58
TPSA143.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide
CID 171099307
6-[(2-aminoethylamino)methyl]-N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]pyridine-2-carboxamide
CID 135439559
6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 10590275
3-amino-N-(2-hydroxyethyl)-6-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 121004737
ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
CID 82893296
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
2-(2-aminoethyl)-N-[3-(3-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120635005
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618811
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56861576

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide (CID 10830479) is 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide is COc1cc(CNCCN)nc(C(=O)NCCc2[nH]cnc2N)c1.
What is the InChIKey of 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide?
The InChIKey is BWEJTJBPJVOQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-24-11-6-10(8-18-5-3-16)22-13(7-11)15(23)19-4-2-12-14(17)21-9-20-12/h6-7,9,18H,2-5,8,16-17H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide?
6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of -0.58, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoethylamino)methyl]-N-[2-(4-amino-1H-imidazol-5-yl)ethyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 10830479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).