N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide

C15H24N4O2 — CID 62177054

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCC(=O)NC(C)CC)cn1
InChIInChI=1S/C15H24N4O2/c1-4-11(3)19-14(20)8-9-17-15(21)12-6-7-13(16-5-2)18-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyIBGJGNLYTKGZIQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.55
Rot. Bonds8

About N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide (PubChem CID 62177054) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide
PubChem CID62177054
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCC(=O)NC(C)CC)cn1
InChIInChI=1S/C15H24N4O2/c1-4-11(3)19-14(20)8-9-17-15(21)12-6-7-13(16-5-2)18-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyIBGJGNLYTKGZIQ-UHFFFAOYSA-N
XLogP1.55
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956162
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62177406
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105069549
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816424
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
CID 61053305
6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 60732249
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62165858
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963593

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide (CID 62177054) is N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide is CCNc1ccc(C(=O)NCCC(=O)NC(C)CC)cn1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide?
The InChIKey is IBGJGNLYTKGZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-11(3)19-14(20)8-9-17-15(21)12-6-7-13(16-5-2)18-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62177054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).