2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide

C22H25ClN6O2 — CID 135186862

IUPAC2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN1CCC(NCc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1
InChIInChI=1S/C22H25ClN6O2/c1-29-8-6-16(7-9-29)26-12-17-4-2-15(11-25-17)14-3-5-18(23)19(10-14)27-21(30)20-13-31-22(24)28-20/h2-5,10-11,13,16,26H,6-9,12H2,1H3,(H2,24,28)(H,27,30)
InChIKeyBMCYBKHWPSWBQY-UHFFFAOYSA-N
MW440.94 g/mol
LogP3.41
Rot. Bonds6

About 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186862) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186862
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN1CCC(NCc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1
InChIInChI=1S/C22H25ClN6O2/c1-29-8-6-16(7-9-29)26-12-17-4-2-15(11-25-17)14-3-5-18(23)19(10-14)27-21(30)20-13-31-22(24)28-20/h2-5,10-11,13,16,26H,6-9,12H2,1H3,(H2,24,28)(H,27,30)
InChIKeyBMCYBKHWPSWBQY-UHFFFAOYSA-N
XLogP3.41
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-oxazole-4-carboxamide
CID 118204305
2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 135186859
2-amino-N-[2-chloro-5-[1-[3-(cyclopropylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186861
2-amino-N-[2-chloro-5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186864
2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186868
2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186874
2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide
CID 135186875
2-amino-N-[2-chloro-5-[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186876
2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186877
2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 135186880
2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186881
2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 135186883

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide (CID 135186862) is 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide is CN1CCC(NCc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BMCYBKHWPSWBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-29-8-6-16(7-9-29)26-12-17-4-2-15(11-25-17)14-3-5-18(23)19(10-14)27-21(30)20-13-31-22(24)28-20/h2-5,10-11,13,16,26H,6-9,12H2,1H3,(H2,24,28)(H,27,30).
What are the key properties of 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).