N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride

C19H25ClN4O — CID 67241132

IUPACN-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
SMILESCCCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-2-4-17-12-22-18(13-21-17)19(24)23-16-8-6-14(7-9-16)15-5-3-10-20-11-15;/h6-9,12-13,15,20H,2-5,10-11H2,1H3,(H,23,24);1H/t15-;/m1./s1
InChIKeySXEFSGREQVCGKC-XFULWGLBSA-N
MW360.89 g/mol
LogP3.57
Rot. Bonds5

About N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride

N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride (PubChem CID 67241132) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
PubChem CID67241132
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
SMILESCCCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-2-4-17-12-22-18(13-21-17)19(24)23-16-8-6-14(7-9-16)15-5-3-10-20-11-15;/h6-9,12-13,15,20H,2-5,10-11H2,1H3,(H,23,24);1H/t15-;/m1./s1
InChIKeySXEFSGREQVCGKC-XFULWGLBSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
CID 110257606
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
CID 175718166
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride (CID 67241132) is N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride is CCCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1.Cl.
What is the InChIKey of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride?
The InChIKey is SXEFSGREQVCGKC-XFULWGLBSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-2-4-17-12-22-18(13-21-17)19(24)23-16-8-6-14(7-9-16)15-5-3-10-20-11-15;/h6-9,12-13,15,20H,2-5,10-11H2,1H3,(H,23,24);1H/t15-;/m1./s1.
What are the key properties of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride?
N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 67241132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).