4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

C22H27N5O2 — CID 138587469

IUPAC4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILES[2H]C([2H])([2H])C(NC1CCC(C(=O)Nc2cc3cc(-c4cnc(C)o4)ncc3cn2)CC1)C([2H])([2H])[2H]
InChIInChI=1S/C22H27N5O2/c1-13(2)26-18-6-4-15(5-7-18)22(28)27-21-9-16-8-19(20-12-23-14(3)29-20)24-10-17(16)11-25-21/h8-13,15,18,26H,4-7H2,1-3H3,(H,25,27,28)/i1D3,2D3
InChIKeyBTEYQZBOXSWHEV-WFGJKAKNSA-N
MW399.53 g/mol
LogP4.09
Rot. Bonds7

About 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138587469) has the molecular formula C22H27N5O2 and a molecular weight of 399.53 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
PubChem CID138587469
Molecular FormulaC22H27N5O2
Molecular Weight399.53 g/mol
Exact Mass399.25
IUPAC Name4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILES[2H]C([2H])([2H])C(NC1CCC(C(=O)Nc2cc3cc(-c4cnc(C)o4)ncc3cn2)CC1)C([2H])([2H])[2H]
InChIInChI=1S/C22H27N5O2/c1-13(2)26-18-6-4-15(5-7-18)22(28)27-21-9-16-8-19(20-12-23-14(3)29-20)24-10-17(16)11-25-21/h8-13,15,18,26H,4-7H2,1-3H3,(H,25,27,28)/i1D3,2D3
InChIKeyBTEYQZBOXSWHEV-WFGJKAKNSA-N
XLogP4.09
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138587578
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
CID 138605092
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-2-piperidin-1-ylacetamide
CID 138590602
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559188
(1S,5R)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138586912
(3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
CID 138589649
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138587043
4-(2-methoxyethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559234
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylpropanamide
CID 138590073
4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138590161
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296
(2R)-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]oxolane-2-carboxamide
CID 138588775

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (CID 138587469) is 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is [2H]C([2H])([2H])C(NC1CCC(C(=O)Nc2cc3cc(-c4cnc(C)o4)ncc3cn2)CC1)C([2H])([2H])[2H].
What is the InChIKey of 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is BTEYQZBOXSWHEV-WFGJKAKNSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-13(2)26-18-6-4-15(5-7-18)22(28)27-21-9-16-8-19(20-12-23-14(3)29-20)24-10-17(16)11-25-21/h8-13,15,18,26H,4-7H2,1-3H3,(H,25,27,28)/i1D3,2D3.
What are the key properties of 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 399.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138587469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).