4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide

C13H18N4O2 — CID 81245479

IUPAC4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H18N4O2/c14-11-5-7-15-8-10(11)13(19)16-6-1-2-12(18)17-9-3-4-9/h5,7-9H,1-4,6H2,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyYEPOAPMZWPPDKE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.45
Rot. Bonds6

About 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide

4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide (PubChem CID 81245479) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
PubChem CID81245479
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H18N4O2/c14-11-5-7-15-8-10(11)13(19)16-6-1-2-12(18)17-9-3-4-9/h5,7-9H,1-4,6H2,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyYEPOAPMZWPPDKE-UHFFFAOYSA-N
XLogP0.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
CID 104742549
2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 79395352
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
3-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]-2-fluorobenzamide
CID 106547636
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]pyridine-3-carboxylic acid
CID 79377281
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide (CID 81245479) is 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide is Nc1ccncc1C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The InChIKey is YEPOAPMZWPPDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-11-5-7-15-8-10(11)13(19)16-6-1-2-12(18)17-9-3-4-9/h5,7-9H,1-4,6H2,(H2,14,15)(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 81245479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).