N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide

C19H21N7O — CID 122327585

IUPACN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)c1cnc2ccccc2n1
InChIInChI=1S/C19H21N7O/c27-19(16-12-22-14-5-1-2-6-15(14)25-16)21-8-7-20-17-11-18(24-13-23-17)26-9-3-4-10-26/h1-2,5-6,11-13H,3-4,7-10H2,(H,21,27)(H,20,23,24)
InChIKeyRBSMOMSXMSAHBX-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.86
Rot. Bonds6

About N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide

N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide (PubChem CID 122327585) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide
PubChem CID122327585
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)c1cnc2ccccc2n1
InChIInChI=1S/C19H21N7O/c27-19(16-12-22-14-5-1-2-6-15(14)25-16)21-8-7-20-17-11-18(24-13-23-17)26-9-3-4-10-26/h1-2,5-6,11-13H,3-4,7-10H2,(H,21,27)(H,20,23,24)
InChIKeyRBSMOMSXMSAHBX-UHFFFAOYSA-N
XLogP1.86
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122327578
2-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122327552
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122327533
1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 56920649
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122327671
2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327629
3-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2,1-benzoxazole-5-carboxamide
CID 122327660
4-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122327670
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]quinoxaline-2-carboxamide
CID 122293087
3,3,3-trifluoro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327666

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide (CID 122327585) is N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide is O=C(NCCNc1cc(N2CCCC2)ncn1)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide?
The InChIKey is RBSMOMSXMSAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c27-19(16-12-22-14-5-1-2-6-15(14)25-16)21-8-7-20-17-11-18(24-13-23-17)26-9-3-4-10-26/h1-2,5-6,11-13H,3-4,7-10H2,(H,21,27)(H,20,23,24).
What are the key properties of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide?
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 122327585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).