N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide

C17H17Cl2N5O2 — CID 119789147

IUPACN-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide
SMILESO=C(CNCC1CC1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C17H17Cl2N5O2/c18-12-5-11(23-15(25)9-21-7-10-1-2-10)6-13(19)16(12)24-17(26)14-8-20-3-4-22-14/h3-6,8,10,21H,1-2,7,9H2,(H,23,25)(H,24,26)
InChIKeyYAFXCQVJUQEHLQ-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.97
Rot. Bonds7

About N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide

N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide (PubChem CID 119789147) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide
PubChem CID119789147
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC NameN-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide
SMILESO=C(CNCC1CC1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C17H17Cl2N5O2/c18-12-5-11(23-15(25)9-21-7-10-1-2-10)6-13(19)16(12)24-17(26)14-8-20-3-4-22-14/h3-6,8,10,21H,1-2,7,9H2,(H,23,25)(H,24,26)
InChIKeyYAFXCQVJUQEHLQ-UHFFFAOYSA-N
XLogP2.97
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 16770775
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide
CID 119326808
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride
CID 119858054
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 60866735
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
2-(cyclopropylmethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671879
N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
CID 103813939
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide (CID 119789147) is N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide is O=C(CNCC1CC1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1.
What is the InChIKey of N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide?
The InChIKey is YAFXCQVJUQEHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c18-12-5-11(23-15(25)9-21-7-10-1-2-10)6-13(19)16(12)24-17(26)14-8-20-3-4-22-14/h3-6,8,10,21H,1-2,7,9H2,(H,23,25)(H,24,26).
What are the key properties of N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide?
N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119789147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).