5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide

C19H21N7O2 — CID 122314725

IUPAC5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccnc(Nc2cc(NCCNC(=O)c3cc(C4CC4)on3)ncn2)c1
InChIInChI=1S/C19H21N7O2/c1-12-4-5-20-17(8-12)25-18-10-16(23-11-24-18)21-6-7-22-19(27)14-9-15(28-26-14)13-2-3-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,22,27)(H2,20,21,23,24,25)
InChIKeyPBPHSUIOIAOYRU-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.63
Rot. Bonds8

About 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 122314725) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID122314725
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccnc(Nc2cc(NCCNC(=O)c3cc(C4CC4)on3)ncn2)c1
InChIInChI=1S/C19H21N7O2/c1-12-4-5-20-17(8-12)25-18-10-16(23-11-24-18)21-6-7-22-19(27)14-9-15(28-26-14)13-2-3-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,22,27)(H2,20,21,23,24,25)
InChIKeyPBPHSUIOIAOYRU-UHFFFAOYSA-N
XLogP2.63
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314519
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]furan-3-carboxamide
CID 122314731
2,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314561
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
6-ethoxy-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 122314797
5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122289896
2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064501
1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide
CID 122315557
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]urea
CID 122314643
1-(4-ethoxyphenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]urea
CID 122314590
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314809
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide (CID 122314725) is 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide is Cc1ccnc(Nc2cc(NCCNC(=O)c3cc(C4CC4)on3)ncn2)c1.
What is the InChIKey of 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PBPHSUIOIAOYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12-4-5-20-17(8-12)25-18-10-16(23-11-24-18)21-6-7-22-19(27)14-9-15(28-26-14)13-2-3-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,22,27)(H2,20,21,23,24,25).
What are the key properties of 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122314725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).