N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide

C20H32N4O3 — CID 7349690

IUPACN-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)CCN(C[C@H]1CCCO1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H32N4O3/c1-4-9-23(10-5-2)19(25)8-11-24(15-17-7-6-12-27-17)20(26)18-14-21-16(3)13-22-18/h13-14,17H,4-12,15H2,1-3H3/t17-/m1/s1
InChIKeyYUNFVJXCPIKGOU-QGZVFWFLSA-N
MW376.50 g/mol
LogP2.44
Rot. Bonds10

About N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide

N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 7349690) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID7349690
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)CCN(C[C@H]1CCCO1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H32N4O3/c1-4-9-23(10-5-2)19(25)8-11-24(15-17-7-6-12-27-17)20(26)18-14-21-16(3)13-22-18/h13-14,17H,4-12,15H2,1-3H3/t17-/m1/s1
InChIKeyYUNFVJXCPIKGOU-QGZVFWFLSA-N
XLogP2.44
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7306735
N-[3-(dipropylamino)-3-oxopropyl]-2-methyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780309
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374809
N-ethyl-5-(ethylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374808
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 3655051
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 45221593
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide (CID 7349690) is N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide is CCCN(CCC)C(=O)CCN(C[C@H]1CCCO1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is YUNFVJXCPIKGOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-9-23(10-5-2)19(25)8-11-24(15-17-7-6-12-27-17)20(26)18-14-21-16(3)13-22-18/h13-14,17H,4-12,15H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7349690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).