N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide

C17H20ClN5O2 — CID 88963301

IUPACN-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide
SMILESCc1ncc(NCC2CCOCC2)nc1-c1cc(NC=O)ncc1Cl
InChIInChI=1S/C17H20ClN5O2/c1-11-17(13-6-15(22-10-24)21-8-14(13)18)23-16(9-19-11)20-7-12-2-4-25-5-3-12/h6,8-10,12H,2-5,7H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyRICHESLDQDSELZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.91
Rot. Bonds6

About N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide

N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide (PubChem CID 88963301) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide
PubChem CID88963301
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide
SMILESCc1ncc(NCC2CCOCC2)nc1-c1cc(NC=O)ncc1Cl
InChIInChI=1S/C17H20ClN5O2/c1-11-17(13-6-15(22-10-24)21-8-14(13)18)23-16(9-19-11)20-7-12-2-4-25-5-3-12/h6,8-10,12H,2-5,7H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyRICHESLDQDSELZ-UHFFFAOYSA-N
XLogP2.91
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide?
The IUPAC name of N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide (CID 88963301) is N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide.
What is the SMILES notation for N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide?
The canonical SMILES for N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide is Cc1ncc(NCC2CCOCC2)nc1-c1cc(NC=O)ncc1Cl.
What is the InChIKey of N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide?
The InChIKey is RICHESLDQDSELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-11-17(13-6-15(22-10-24)21-8-14(13)18)23-16(9-19-11)20-7-12-2-4-25-5-3-12/h6,8-10,12H,2-5,7H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide?
N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide has a molecular weight of 361.83 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide is sourced from PubChem (CID 88963301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).