N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide

C15H22N4O2 — CID 42783322

IUPACN-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
SMILESCCCCNC(=O)CCN(C(=O)c1cnccn1)C1CC1
InChIInChI=1S/C15H22N4O2/c1-2-3-7-18-14(20)6-10-19(12-4-5-12)15(21)13-11-16-8-9-17-13/h8-9,11-12H,2-7,10H2,1H3,(H,18,20)
InChIKeyRDAASRKKNNHKIZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.39
Rot. Bonds8

About N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide

N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide (PubChem CID 42783322) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
PubChem CID42783322
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
SMILESCCCCNC(=O)CCN(C(=O)c1cnccn1)C1CC1
InChIInChI=1S/C15H22N4O2/c1-2-3-7-18-14(20)6-10-19(12-4-5-12)15(21)13-11-16-8-9-17-13/h8-9,11-12H,2-7,10H2,1H3,(H,18,20)
InChIKeyRDAASRKKNNHKIZ-UHFFFAOYSA-N
XLogP1.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[3-(dipropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783325
N-cyclopropyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3402919
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-cyclopropyl-N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 4645567
N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 3655051
N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide
CID 142959999
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7249269
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783088
ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 1031632
N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 5066330

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide (CID 42783322) is N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide is CCCCNC(=O)CCN(C(=O)c1cnccn1)C1CC1.
What is the InChIKey of N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide?
The InChIKey is RDAASRKKNNHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-3-7-18-14(20)6-10-19(12-4-5-12)15(21)13-11-16-8-9-17-13/h8-9,11-12H,2-7,10H2,1H3,(H,18,20).
What are the key properties of N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide?
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide is sourced from PubChem (CID 42783322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).