N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

C19H30N4O3 — CID 3655051

IUPACN-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCCCCCNC(=O)CCN(CC1CCCO1)C(=O)c1cnccn1
InChIInChI=1S/C19H30N4O3/c1-2-3-4-5-9-22-18(24)8-12-23(15-16-7-6-13-26-16)19(25)17-14-20-10-11-21-17/h10-11,14,16H,2-9,12-13,15H2,1H3,(H,22,24)
InChIKeyWFONTUFLALPFOZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.18
Rot. Bonds11

About N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 3655051) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID3655051
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCCCCCNC(=O)CCN(CC1CCCO1)C(=O)c1cnccn1
InChIInChI=1S/C19H30N4O3/c1-2-3-4-5-9-22-18(24)8-12-23(15-16-7-6-13-26-16)19(25)17-14-20-10-11-21-17/h10-11,14,16H,2-9,12-13,15H2,1H3,(H,22,24)
InChIKeyWFONTUFLALPFOZ-UHFFFAOYSA-N
XLogP2.18
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237889
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237890
N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783431
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3557301
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
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-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7218732
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783434

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (CID 3655051) is N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is CCCCCCNC(=O)CCN(CC1CCCO1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is WFONTUFLALPFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-3-4-5-9-22-18(24)8-12-23(15-16-7-6-13-26-16)19(25)17-14-20-10-11-21-17/h10-11,14,16H,2-9,12-13,15H2,1H3,(H,22,24).
What are the key properties of N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3655051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).