N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide

C12H11ClN4O — CID 167523108

IUPACN-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide
SMILESCCn1cc(Cl)c2cncc(C(C#N)NC=O)c21
InChIInChI=1S/C12H11ClN4O/c1-2-17-6-10(13)8-4-15-5-9(12(8)17)11(3-14)16-7-18/h4-7,11H,2H2,1H3,(H,16,18)
InChIKeySLTGEGHMPBPFCX-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.02
Rot. Bonds4

About N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide

N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide (PubChem CID 167523108) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide.

Molecular Properties

Compound NameN-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide
PubChem CID167523108
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC NameN-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide
SMILESCCn1cc(Cl)c2cncc(C(C#N)NC=O)c21
InChIInChI=1S/C12H11ClN4O/c1-2-17-6-10(13)8-4-15-5-9(12(8)17)11(3-14)16-7-18/h4-7,11H,2H2,1H3,(H,16,18)
InChIKeySLTGEGHMPBPFCX-UHFFFAOYSA-N
XLogP2.02
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522401
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide
CID 141352800
7-Chloro-1,2-dimethylpyrrolo[3,2-c]pyridine
CID 156454994
7-Chloro-1,2-dimethylpyrrolo[3,2-c]pyridine;ethane
CID 156751057
3-Chloro-7-ethenyl-1-ethylpyrrolo[3,2-c]pyridine
CID 167521520
3-Chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane
CID 167521690
3-Chloro-7-methyl-1-prop-1-ynylpyrrolo[3,2-c]pyridine;ethane
CID 167522378
3-Chloro-1-ethyl-7-methylpyrrolo[3,2-c]pyridine;ethane
CID 167522754
3-Chloro-1,7-dimethylpyrrolo[3,2-c]pyridine;ethane
CID 167523048
2-Amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile
CID 167523101
3-Chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane
CID 167523193
2-Amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile
CID 167523324

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide?
The IUPAC name of N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide (CID 167523108) is N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide.
What is the SMILES notation for N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide?
The canonical SMILES for N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide is CCn1cc(Cl)c2cncc(C(C#N)NC=O)c21.
What is the InChIKey of N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide?
The InChIKey is SLTGEGHMPBPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-2-17-6-10(13)8-4-15-5-9(12(8)17)11(3-14)16-7-18/h4-7,11H,2H2,1H3,(H,16,18).
What are the key properties of N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide?
N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide has a molecular weight of 262.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide is sourced from PubChem (CID 167523108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).