6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide

C16H26ClN5O2 — CID 21418985

IUPAC6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide
SMILESCCNc1nc(OC)c(C(=O)N(C)CC2CCCN2CC)nc1Cl
InChIInChI=1S/C16H26ClN5O2/c1-5-18-14-13(17)19-12(15(20-14)24-4)16(23)21(3)10-11-8-7-9-22(11)6-2/h11H,5-10H2,1-4H3,(H,18,20)
InChIKeyKTCWGKXYQOPGIW-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.13
Rot. Bonds7

About 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide

6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide (PubChem CID 21418985) has the molecular formula C16H26ClN5O2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide
PubChem CID21418985
Molecular FormulaC16H26ClN5O2
Molecular Weight355.87 g/mol
Exact Mass355.18
IUPAC Name6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide
SMILESCCNc1nc(OC)c(C(=O)N(C)CC2CCCN2CC)nc1Cl
InChIInChI=1S/C16H26ClN5O2/c1-5-18-14-13(17)19-12(15(20-14)24-4)16(23)21(3)10-11-8-7-9-22(11)6-2/h11H,5-10H2,1-4H3,(H,18,20)
InChIKeyKTCWGKXYQOPGIW-UHFFFAOYSA-N
XLogP2.13
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide (CID 21418985) is 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide is CCNc1nc(OC)c(C(=O)N(C)CC2CCCN2CC)nc1Cl.
What is the InChIKey of 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide?
The InChIKey is KTCWGKXYQOPGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN5O2/c1-5-18-14-13(17)19-12(15(20-14)24-4)16(23)21(3)10-11-8-7-9-22(11)6-2/h11H,5-10H2,1-4H3,(H,18,20).
What are the key properties of 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide?
6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 21418985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).