4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C19H23N7O — CID 71583048

IUPAC4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1cccnc1
InChIInChI=1S/C19H23N7O/c1-13(14-3-2-7-21-11-14)25-18(27)19(20)5-9-26(10-6-19)17-15-4-8-22-16(15)23-12-24-17/h2-4,7-8,11-13H,5-6,9-10,20H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyYUZRIQNBQFPWRI-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.53
Rot. Bonds4

About 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 71583048) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID71583048
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1cccnc1
InChIInChI=1S/C19H23N7O/c1-13(14-3-2-7-21-11-14)25-18(27)19(20)5-9-26(10-6-19)17-15-4-8-22-16(15)23-12-24-17/h2-4,7-8,11-13H,5-6,9-10,20H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyYUZRIQNBQFPWRI-UHFFFAOYSA-N
XLogP1.53
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 71583048) is 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1cccnc1.
What is the InChIKey of 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is YUZRIQNBQFPWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13(14-3-2-7-21-11-14)25-18(27)19(20)5-9-26(10-6-19)17-15-4-8-22-16(15)23-12-24-17/h2-4,7-8,11-13H,5-6,9-10,20H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71583048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).