4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide

C13H21N5O — CID 54993134

IUPAC4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide
SMILES[H]/N=C(\N)CCN(CC)c1ccnc(C(=O)NCC)c1
InChIInChI=1S/C13H21N5O/c1-3-16-13(19)11-9-10(5-7-17-11)18(4-2)8-6-12(14)15/h5,7,9H,3-4,6,8H2,1-2H3,(H3,14,15)(H,16,19)
InChIKeyIMABZWVFGQKNFN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.98
Rot. Bonds7

About 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide

4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide (PubChem CID 54993134) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide
PubChem CID54993134
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide
SMILES[H]/N=C(\N)CCN(CC)c1ccnc(C(=O)NCC)c1
InChIInChI=1S/C13H21N5O/c1-3-16-13(19)11-9-10(5-7-17-11)18(4-2)8-6-12(14)15/h5,7,9H,3-4,6,8H2,1-2H3,(H3,14,15)(H,16,19)
InChIKeyIMABZWVFGQKNFN-UHFFFAOYSA-N
XLogP0.98
TPSA95.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(3-amino-3-iminopropyl)-(2-methoxyethyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63286086
4-[(3-amino-3-iminopropyl)-propan-2-ylamino]-N-methylpyridine-2-carboxamide
CID 54996820
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid
CID 62818215
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
CID 79386836
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813
4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
CID 60839856

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide (CID 54993134) is 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide is [H]/N=C(\N)CCN(CC)c1ccnc(C(=O)NCC)c1.
What is the InChIKey of 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide?
The InChIKey is IMABZWVFGQKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-16-13(19)11-9-10(5-7-17-11)18(4-2)8-6-12(14)15/h5,7,9H,3-4,6,8H2,1-2H3,(H3,14,15)(H,16,19).
What are the key properties of 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide?
4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 54993134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).