N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C23H27N5O2 — CID 155076809

IUPACN-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc2ncccc2[nH]1)[C@@H]1C=C(NCc2ccnc(OC)c2)CCC1
InChIInChI=1S/C23H27N5O2/c1-3-28(23(29)21-14-20-19(27-21)8-5-10-24-20)18-7-4-6-17(13-18)26-15-16-9-11-25-22(12-16)30-2/h5,8-14,18,26-27H,3-4,6-7,15H2,1-2H3/t18-/m0/s1
InChIKeyQJFMGEQFKKCMAZ-SFHVURJKSA-N
MW405.50 g/mol
LogP3.65
Rot. Bonds7

About N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 155076809) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID155076809
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc2ncccc2[nH]1)[C@@H]1C=C(NCc2ccnc(OC)c2)CCC1
InChIInChI=1S/C23H27N5O2/c1-3-28(23(29)21-14-20-19(27-21)8-5-10-24-20)18-7-4-6-17(13-18)26-15-16-9-11-25-22(12-16)30-2/h5,8-14,18,26-27H,3-4,6-7,15H2,1-2H3/t18-/m0/s1
InChIKeyQJFMGEQFKKCMAZ-SFHVURJKSA-N
XLogP3.65
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 142389774
N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 155076770
N-[(1S)-3-(1,3-benzoxazol-5-ylmethylamino)cyclohex-2-en-1-yl]-N-ethyl-1H-indole-2-carboxamide
CID 155077123
N-[(1S,3R)-3-(2,1,3-benzothiadiazol-5-ylmethylamino)cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 155076769
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 135171160
N-ethyl-N-[(1S)-3-(pyrimidin-2-ylmethylamino)cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
CID 155076942
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 135171280
N-ethyl-N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 135171283
N-[(1S)-3-[2-(4-methoxyphenyl)propan-2-ylamino]cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 162608345
N-ethyl-N-[(1S)-3-[(2,2,2-trifluoro-1-phenylethyl)amino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 142389796
N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide
CID 155076778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 155076809) is N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is CCN(C(=O)c1cc2ncccc2[nH]1)[C@@H]1C=C(NCc2ccnc(OC)c2)CCC1.
What is the InChIKey of N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is QJFMGEQFKKCMAZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-28(23(29)21-14-20-19(27-21)8-5-10-24-20)18-7-4-6-17(13-18)26-15-16-9-11-25-22(12-16)30-2/h5,8-14,18,26-27H,3-4,6-7,15H2,1-2H3/t18-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155076809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).