N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide

C16H21N5O — CID 163357688

IUPACN-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCn1ccc2c(N3CCC(NC(=O)C4CC4)CC3)ncnc21
InChIInChI=1S/C16H21N5O/c1-20-7-6-13-14(20)17-10-18-15(13)21-8-4-12(5-9-21)19-16(22)11-2-3-11/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyAVVIKKDIARTYFY-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.46
Rot. Bonds3

About N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 163357688) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID163357688
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCn1ccc2c(N3CCC(NC(=O)C4CC4)CC3)ncnc21
InChIInChI=1S/C16H21N5O/c1-20-7-6-13-14(20)17-10-18-15(13)21-8-4-12(5-9-21)19-16(22)11-2-3-11/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyAVVIKKDIARTYFY-UHFFFAOYSA-N
XLogP1.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 165435142
4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 166602226
N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 166602271
N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166602904
N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
CID 166602309
7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine
CID 110874977
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
N-[(3R,4R)-3-hydroxy-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide
CID 171914481
[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800283
N-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165881
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide (CID 163357688) is N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide is Cn1ccc2c(N3CCC(NC(=O)C4CC4)CC3)ncnc21.
What is the InChIKey of N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is AVVIKKDIARTYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-7-6-13-14(20)17-10-18-15(13)21-8-4-12(5-9-21)19-16(22)11-2-3-11/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,22).
What are the key properties of N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163357688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).