N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide

C14H18ClN5O — CID 56780271

IUPACN-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide
SMILESCc1cnn(CC(C)NCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C14H18ClN5O/c1-10-5-18-20(8-10)9-11(2)16-7-14(21)19-13-4-3-12(15)6-17-13/h3-6,8,11,16H,7,9H2,1-2H3,(H,17,19,21)
InChIKeyRQLKEIWBIAXSJP-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.86
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide

N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide (PubChem CID 56780271) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide
PubChem CID56780271
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide
SMILESCc1cnn(CC(C)NCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C14H18ClN5O/c1-10-5-18-20(8-10)9-11(2)16-7-14(21)19-13-4-3-12(15)6-17-13/h3-6,8,11,16H,7,9H2,1-2H3,(H,17,19,21)
InChIKeyRQLKEIWBIAXSJP-UHFFFAOYSA-N
XLogP1.86
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide (CID 56780271) is N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide is Cc1cnn(CC(C)NCC(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide?
The InChIKey is RQLKEIWBIAXSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-10-5-18-20(8-10)9-11(2)16-7-14(21)19-13-4-3-12(15)6-17-13/h3-6,8,11,16H,7,9H2,1-2H3,(H,17,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide has a molecular weight of 307.79 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]acetamide is sourced from PubChem (CID 56780271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).