5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide

C10H15ClN4O — CID 107246707

IUPAC5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCC(CNC(=O)c1cnc(Cl)cn1)N(C)C
InChIInChI=1S/C10H15ClN4O/c1-7(15(2)3)4-14-10(16)8-5-13-9(11)6-12-8/h5-7H,4H2,1-3H3,(H,14,16)
InChIKeyPAYBVOVLJCRLHR-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.81
Rot. Bonds4

About 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide

5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 107246707) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
PubChem CID107246707
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCC(CNC(=O)c1cnc(Cl)cn1)N(C)C
InChIInChI=1S/C10H15ClN4O/c1-7(15(2)3)4-14-10(16)8-5-13-9(11)6-12-8/h5-7H,4H2,1-3H3,(H,14,16)
InChIKeyPAYBVOVLJCRLHR-UHFFFAOYSA-N
XLogP0.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide
CID 103817041
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide (CID 107246707) is 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide is CC(CNC(=O)c1cnc(Cl)cn1)N(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is PAYBVOVLJCRLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-7(15(2)3)4-14-10(16)8-5-13-9(11)6-12-8/h5-7H,4H2,1-3H3,(H,14,16).
What are the key properties of 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide?
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107246707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).