N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide

C16H25ClN4O2 — CID 111497048

IUPACN-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
SMILESCCC(CO)N1CCN(C(C)C(=O)Nc2cccnc2Cl)CC1
InChIInChI=1S/C16H25ClN4O2/c1-3-13(11-22)21-9-7-20(8-10-21)12(2)16(23)19-14-5-4-6-18-15(14)17/h4-6,12-13,22H,3,7-11H2,1-2H3,(H,19,23)
InChIKeyKSFBBEDZAUCZPK-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.45
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide

N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide (PubChem CID 111497048) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
PubChem CID111497048
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
SMILESCCC(CO)N1CCN(C(C)C(=O)Nc2cccnc2Cl)CC1
InChIInChI=1S/C16H25ClN4O2/c1-3-13(11-22)21-9-7-20(8-10-21)12(2)16(23)19-14-5-4-6-18-15(14)17/h4-6,12-13,22H,3,7-11H2,1-2H3,(H,19,23)
InChIKeyKSFBBEDZAUCZPK-UHFFFAOYSA-N
XLogP1.45
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495
N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
CID 55494146
(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430826
2-[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]butan-1-ol
CID 111489487
N-(2-chloro-3-pyridinyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 46560926
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168041
N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 44824002
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250059
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide (CID 111497048) is N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide is CCC(CO)N1CCN(C(C)C(=O)Nc2cccnc2Cl)CC1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The InChIKey is KSFBBEDZAUCZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-3-13(11-22)21-9-7-20(8-10-21)12(2)16(23)19-14-5-4-6-18-15(14)17/h4-6,12-13,22H,3,7-11H2,1-2H3,(H,19,23).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide has a molecular weight of 340.86 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 111497048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).