6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide

C23H18ClN5O2 — CID 151986572

IUPAC6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1ccc(Cl)nc1
InChIInChI=1S/C23H18ClN5O2/c24-19-7-6-15(11-26-19)23(31)28-18-3-1-2-16-17(12-27-21(16)18)14-8-9-25-20(10-14)29-22(30)13-4-5-13/h1-3,6-13,27H,4-5H2,(H,28,31)(H,25,29,30)
InChIKeyUDTZAMIDJWALSC-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.88
Rot. Bonds5

About 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide

6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide (PubChem CID 151986572) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide
PubChem CID151986572
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1ccc(Cl)nc1
InChIInChI=1S/C23H18ClN5O2/c24-19-7-6-15(11-26-19)23(31)28-18-3-1-2-16-17(12-27-21(16)18)14-8-9-25-20(10-14)29-22(30)13-4-5-13/h1-3,6-13,27H,4-5H2,(H,28,31)(H,25,29,30)
InChIKeyUDTZAMIDJWALSC-UHFFFAOYSA-N
XLogP4.88
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide
CID 146571657
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide
CID 146613876
1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 168926332
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 111338627
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
S-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl] 2-methylpropanethioate
CID 145088928
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
CID 176572347
N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
CID 116783827

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide (CID 151986572) is 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide is O=C(Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide?
The InChIKey is UDTZAMIDJWALSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-19-7-6-15(11-26-19)23(31)28-18-3-1-2-16-17(12-27-21(16)18)14-8-9-25-20(10-14)29-22(30)13-4-5-13/h1-3,6-13,27H,4-5H2,(H,28,31)(H,25,29,30).
What are the key properties of 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide?
6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 151986572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).