N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide

C21H25N5O — CID 137045028

IUPACN-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2cnc3ncc4[nH]cccc4c23)CC1)NCC1CC1
InChIInChI=1S/C21H25N5O/c27-19(23-10-14-3-4-14)13-26-8-5-15(6-9-26)17-11-24-21-20(17)16-2-1-7-22-18(16)12-25-21/h1-2,7,11-12,14-15,22H,3-6,8-10,13H2,(H,23,27)
InChIKeyRAWCVHRSQRMBLU-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.82
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide

N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide (PubChem CID 137045028) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide
PubChem CID137045028
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2cnc3ncc4[nH]cccc4c23)CC1)NCC1CC1
InChIInChI=1S/C21H25N5O/c27-19(23-10-14-3-4-14)13-26-8-5-15(6-9-26)17-11-24-21-20(17)16-2-1-7-22-18(16)12-25-21/h1-2,7,11-12,14-15,22H,3-6,8-10,13H2,(H,23,27)
InChIKeyRAWCVHRSQRMBLU-UHFFFAOYSA-N
XLogP2.82
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide (CID 137045028) is N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2cnc3ncc4[nH]cccc4c23)CC1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is RAWCVHRSQRMBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-19(23-10-14-3-4-14)13-26-8-5-15(6-9-26)17-11-24-21-20(17)16-2-1-7-22-18(16)12-25-21/h1-2,7,11-12,14-15,22H,3-6,8-10,13H2,(H,23,27).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 363.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 137045028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).