5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C18H18ClN5O2 — CID 72979930

IUPAC5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)C(Cc1ccncc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C18H18ClN5O2/c1-24(2)18(26)14(7-11-3-5-20-6-4-11)23-17(25)13-8-12-9-16(19)21-10-15(12)22-13/h3-6,8-10,14,22H,7H2,1-2H3,(H,23,25)
InChIKeySYZNCXAJTOHSCT-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.04
Rot. Bonds5

About 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 72979930) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID72979930
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)C(Cc1ccncc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C18H18ClN5O2/c1-24(2)18(26)14(7-11-3-5-20-6-4-11)23-17(25)13-8-12-9-16(19)21-10-15(12)22-13/h3-6,8-10,14,22H,7H2,1-2H3,(H,23,25)
InChIKeySYZNCXAJTOHSCT-UHFFFAOYSA-N
XLogP2.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 72979930) is 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)C(Cc1ccncc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SYZNCXAJTOHSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-24(2)18(26)14(7-11-3-5-20-6-4-11)23-17(25)13-8-12-9-16(19)21-10-15(12)22-13/h3-6,8-10,14,22H,7H2,1-2H3,(H,23,25).
What are the key properties of 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 72979930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).