N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide

C15H24N4O2 — CID 105069549

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCC(=O)NC(C)CC
InChIInChI=1S/C15H24N4O2/c1-4-11(3)19-14(20)7-9-18-15(21)12-6-8-16-10-13(12)17-5-2/h6,8,10-11,17H,4-5,7,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNFVDDBYKXBNPTN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.55
Rot. Bonds8

About N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105069549) 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]-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105069549
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCC(=O)NC(C)CC
InChIInChI=1S/C15H24N4O2/c1-4-11(3)19-14(20)7-9-18-15(21)12-6-8-16-10-13(12)17-5-2/h6,8,10-11,17H,4-5,7,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNFVDDBYKXBNPTN-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-(ethylamino)pyridine-3-carboxamide
CID 62177054
3-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 105070222
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62177406
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
CID 106347123
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide (CID 105069549) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCCC(=O)NC(C)CC.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is NFVDDBYKXBNPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-11(3)19-14(20)7-9-18-15(21)12-6-8-16-10-13(12)17-5-2/h6,8,10-11,17H,4-5,7,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-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]-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105069549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).