N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide

C26H31N7O2 — CID 86686159

IUPACN-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCCOc1ccc(-c2ncc(C(=O)N(C3CC3)C3CCN(c4ncc(CC)cn4)CC3)cn2)cn1
InChIInChI=1S/C26H31N7O2/c1-3-18-13-30-26(31-14-18)32-11-9-22(10-12-32)33(21-6-7-21)25(34)20-16-28-24(29-17-20)19-5-8-23(27-15-19)35-4-2/h5,8,13-17,21-22H,3-4,6-7,9-12H2,1-2H3
InChIKeyIRKVROSVUUWQOJ-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.56
Rot. Bonds8

About N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide

N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 86686159) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID86686159
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC NameN-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCCOc1ccc(-c2ncc(C(=O)N(C3CC3)C3CCN(c4ncc(CC)cn4)CC3)cn2)cn1
InChIInChI=1S/C26H31N7O2/c1-3-18-13-30-26(31-14-18)32-11-9-22(10-12-32)33(21-6-7-21)25(34)20-16-28-24(29-17-20)19-5-8-23(27-15-19)35-4-2/h5,8,13-17,21-22H,3-4,6-7,9-12H2,1-2H3
InChIKeyIRKVROSVUUWQOJ-UHFFFAOYSA-N
XLogP3.56
TPSA97.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid
CID 71093777
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
N-cyclopropyl-N-[(3S,4R)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-yl]-6-iodopyridine-3-carboxamide
CID 89285405
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
ethyl 2-(4-formylpiperidin-1-yl)pyrimidine-5-carboxylate
CID 59556290
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
CID 142804810
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
CID 131998372
1-(azetidin-1-yl)-2-[6-[2-[(1S,2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]ethanone
CID 118272398
[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 166600805

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 86686159) is N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide is CCOc1ccc(-c2ncc(C(=O)N(C3CC3)C3CCN(c4ncc(CC)cn4)CC3)cn2)cn1.
What is the InChIKey of N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is IRKVROSVUUWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-3-18-13-30-26(31-14-18)32-11-9-22(10-12-32)33(21-6-7-21)25(34)20-16-28-24(29-17-20)19-5-8-23(27-15-19)35-4-2/h5,8,13-17,21-22H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide?
N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 86686159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).