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

C15H22N4O2 — CID 105070639

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H22N4O2/c1-2-17-13-10-16-9-7-12(13)15(21)18-8-3-4-14(20)19-11-5-6-11/h7,9-11,17H,2-6,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyFABAKBNTODESRG-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.30
Rot. Bonds8

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

N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105070639) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105070639
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H22N4O2/c1-2-17-13-10-16-9-7-12(13)15(21)18-8-3-4-14(20)19-11-5-6-11/h7,9-11,17H,2-6,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyFABAKBNTODESRG-UHFFFAOYSA-N
XLogP1.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.30
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-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070287
3-(ethylamino)-N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 105070144
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide
CID 107376158
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105069549
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide (CID 105070639) is N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is FABAKBNTODESRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-17-13-10-16-9-7-12(13)15(21)18-8-3-4-14(20)19-11-5-6-11/h7,9-11,17H,2-6,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).