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

C19H24N4O — CID 67241133

IUPACN-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide
SMILESCCCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C19H24N4O/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)/t15-/m1/s1
InChIKeyWUSZSMAHZJAWAN-OAHLLOKOSA-N
MW324.43 g/mol
LogP3.15
Rot. Bonds5

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

N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide (PubChem CID 67241133) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide
PubChem CID67241133
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide
SMILESCCCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C19H24N4O/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)/t15-/m1/s1
InChIKeyWUSZSMAHZJAWAN-OAHLLOKOSA-N
XLogP3.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide?
The IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide (CID 67241133) is N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide is CCCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1.
What is the InChIKey of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide?
The InChIKey is WUSZSMAHZJAWAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O/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)/t15-/m1/s1.
What are the key properties of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide?
N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.15, 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 is sourced from PubChem (CID 67241133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).